Bicyclo[4.3.1]decane, 3-methoxy-7,7-dimethyl-10-methylene-

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  • Identifiers

    CAS number
    216970-21-7

    Molecular formula
    C14H24O

    SMILES
    CC1(CCC2CC(CCC1C2=C)OC)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.77%
    Herbal 64.34%
    Camphoreous 62.39%
    Sweet 62.25%
    Pine 58.58%
    Spicy 54.09%
    Fresh 53.24%
    Mint 50.0%
    Green 48.54%
    Cedar 45.87%

     

    Flavor
    Woody 56.3%
    Green 44.74%
    Herbal 44.03%
    Sweet 39.17%
    Wood 36.61%
    Camphor 36.09%
    Earthy 35.73%
    Pine 35.41%
    Herb 34.28%
    Spicy 34.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.37 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 78.01 ˚C est.

  • Synonyms

    • Bicyclo(4.3.1)decane, 3-methoxy-7,7-dimethyl-10-methylene-
    • DTXSID30889128
    • Bicyclo[4.3.1]decane, 3-methoxy-7,7-dimethyl-10-methylene-
    • RefChem:568316
    • DTXCID001028396
    • 216970-21-7
    • SCHEMBL1427786
    • FKLSTTWRGDCXOK-UHFFFAOYSA-N
    • 3-METHOXY-7,7-DIMETHYL-10-METHYLIDENEBICYCLO[4.3.1]DECANE
    • 216970-21-7

  • Applications

    Applications for Bicyclo[4.3.1]decane, 3-methoxy-7,7-dimethyl-10-methylene- (CAS 216970-21-7) typically focus on fragrance and personal care as a fragrance ingredient or intermediate; it can be used in fragrance systems for household cleaners and other consumer cleaning products; in industrial manufacturing as an intermediate in organic synthesis to access bridged cyclic structures for specialty chemicals; as a building block or precursor for polymers and specialty plastics; and it is often evaluated as an intermediate in the synthesis of fine chemicals, including pharmaceutical and agrochemical intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3010.84
    methanol 2841.92
    isopropanol 2928.66
    water 4.32
    ethyl acetate 3719.54
    n-propanol 2865.89
    acetone 2949.61
    n-butanol 2842.49
    acetonitrile 3180.16
    DMF 2382.18
    toluene 3035.05
    isobutanol 2143.53
    1,4-dioxane 6759.03
    methyl acetate 2437.78
    THF 6605.2
    2-butanone 2318.57
    n-pentanol 956.34
    sec-butanol 1632.97
    n-hexane 239.96
    ethylene glycol 328.52
    NMP 1390.65
    cyclohexane 1278.16
    DMSO 1250.03
    n-butyl acetate 2362.76
    n-octanol 494.39
    chloroform 8763.76
    n-propyl acetate 1238.08
    acetic acid 1845.0
    dichloromethane 6917.59
    cyclohexanone 3813.36
    propylene glycol 413.79
    isopropyl acetate 2580.74
    DMAc 1297.65
    2-ethoxyethanol 1254.82
    isopentanol 2158.63
    n-heptane 295.28
    ethyl formate 2076.76
    1,2-dichloroethane 4091.25
    n-hexanol 1925.55
    2-methoxyethanol 3039.56
    isobutyl acetate 888.75
    tetrachloromethane 1863.08
    n-pentyl acetate 1073.75
    transcutol 4668.17
    n-heptanol 614.77
    ethylbenzene 753.28
    MIBK 1421.06
    2-propoxyethanol 2541.96
    tert-butanol 2850.63
    MTBE 3075.75
    2-butoxyethanol 1091.51
    propionic acid 1466.46
    o-xylene 1162.45
    formic acid 564.45
    diethyl ether 4124.74
    m-xylene 1470.52
    p-xylene 942.42
    chlorobenzene 2687.6
    dimethyl carbonate 854.91
    n-octane 86.5
    formamide 787.31
    cyclopentanone 3189.57
    2-pentanone 2159.02
    anisole 1339.34
    cyclopentyl methyl ether 2829.45
    gamma-butyrolactone 3512.86
    1-methoxy-2-propanol 2080.41
    pyridine 4325.3
    3-pentanone 1624.37
    furfural 2940.21
    n-dodecane 55.18
    diethylene glycol 1291.19
    diisopropyl ether 1094.19
    tert-amyl alcohol 1482.42
    acetylacetone 2264.15
    n-hexadecane 67.07
    acetophenone 945.88
    methyl propionate 1886.66
    isopentyl acetate 2055.18
    trichloroethylene 6156.37
    n-nonanol 428.54
    cyclohexanol 2322.85
    benzyl alcohol 914.0
    2-ethylhexanol 940.84
    isooctanol 507.9
    dipropyl ether 1497.11
    1,2-dichlorobenzene 1940.55
    ethyl lactate 416.35
    propylene carbonate 2076.02
    n-methylformamide 1516.53
    2-pentanol 1483.5
    n-pentane 488.31
    1-propoxy-2-propanol 1601.65
    1-methoxy-2-propyl acetate 1909.78
    2-(2-methoxypropoxy) propanol 702.74
    mesitylene 877.25
    ε-caprolactone 3010.59
    p-cymene 534.64
    epichlorohydrin 4502.04
    1,1,1-trichloroethane 4466.43
    2-aminoethanol 811.3
    morpholine-4-carbaldehyde 2436.63
    sulfolane 2001.2
    2,2,4-trimethylpentane 188.58
    2-methyltetrahydrofuran 4391.19
    n-hexyl acetate 1194.55
    isooctane 185.06
    2-(2-butoxyethoxy)ethanol 1160.0
    sec-butyl acetate 965.48
    tert-butyl acetate 2083.44
    decalin 256.23
    glycerin 579.24
    diglyme 2642.93
    acrylic acid 1045.48
    isopropyl myristate 415.46
    n-butyric acid 3006.31
    acetyl acetate 2152.25
    di(2-ethylhexyl) phthalate 341.81
    ethyl propionate 1118.09
    nitromethane 2707.14
    1,2-diethoxyethane 2243.54
    benzonitrile 1820.39
    trioctyl phosphate 253.14
    1-bromopropane 2748.15
    gamma-valerolactone 4236.52
    n-decanol 289.96
    triethyl phosphate 443.65
    4-methyl-2-pentanol 871.67
    propionitrile 2853.02
    vinylene carbonate 2143.5
    1,1,2-trichlorotrifluoroethane 2009.98
    DMS 946.6
    cumene 460.64
    2-octanol 382.78
    2-hexanone 954.38
    octyl acetate 483.18
    limonene 775.86
    1,2-dimethoxyethane 2704.14
    ethyl orthosilicate 487.4
    tributyl phosphate 350.41
    diacetone alcohol 1352.01
    N,N-dimethylaniline 664.85
    acrylonitrile 2585.07
    aniline 2320.6
    1,3-propanediol 1709.65
    bromobenzene 2956.22
    dibromomethane 4555.97
    1,1,2,2-tetrachloroethane 4660.87
    2-methyl-cyclohexyl acetate 746.84
    tetrabutyl urea 368.07
    diisobutyl methanol 556.26
    2-phenylethanol 1158.31
    styrene 997.27
    dioctyl adipate 494.86
    dimethyl sulfate 810.25
    ethyl butyrate 1381.88
    methyl lactate 636.4
    butyl lactate 605.01
    diethyl carbonate 859.35
    propanediol butyl ether 706.72
    triethyl orthoformate 954.64
    p-tert-butyltoluene 549.96
    methyl 4-tert-butylbenzoate 744.14
    morpholine 6380.16
    tert-butylamine 2112.7
    n-dodecanol 212.04
    dimethoxymethane 2488.03
    ethylene carbonate 2161.62
    cyrene 534.57
    2-ethoxyethyl acetate 1476.28
    2-ethylhexyl acetate 1487.9
    1,2,4-trichlorobenzene 2053.09
    4-methylpyridine 3855.64
    dibutyl ether 905.2
    2,6-dimethyl-4-heptanol 556.26
    DEF 1960.6
    dimethyl isosorbide 1354.67
    tetrachloroethylene 3351.27
    eugenol 626.63
    triacetin 843.14
    span 80 626.37
    1,4-butanediol 377.34
    1,1-dichloroethane 4651.9
    2-methyl-1-pentanol 804.39
    methyl formate 1224.87
    2-methyl-1-butanol 1730.44
    n-decane 107.19
    butyronitrile 3178.13
    3,7-dimethyl-1-octanol 563.78
    1-chlorooctane 444.35
    1-chlorotetradecane 159.64
    n-nonane 105.85
    undecane 73.33
    tert-butylcyclohexane 205.35
    cyclooctane 332.46
    cyclopentanol 1800.48
    tetrahydropyran 7115.62
    tert-amyl methyl ether 1427.02
    2,5,8-trioxanonane 1302.37
    1-hexene 704.25
    2-isopropoxyethanol 825.17
    2,2,2-trifluoroethanol 712.65
    methyl butyrate 1398.95

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction